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Clifford W Padgett

Publications and source records attributed to Clifford W Padgett.

4 recordsLinked to original sources

Thermal conductivity of diamond nanorods: Molecular simulation and scaling relations.

Thermal conductivities of diamond nanorods are estimated from molecular simulations as a function of radius, length, and degree of surface functionalization. While thermal conductivity is predicted to be lower than carbon nanotubes, their thermal properties are less influenced by surface functionalization, making them prime candidates for thermal management where heat transfer is facilitated by cross-links. A scaling relation based on phonon surface scattering is developed that reproduces the simulation results and experimental measurements on silicon nanowires.

Computer Simulation↗

Rubidium bis(trifluoromethanesulfonyl)imidate dioxane disolvate.

The bis(trifluoromethanesulfonyl)imidate anion crystallizes with Rb as the title dioxane 1:2 solvate, Rb(+).CF(3)SO(2)NSO(2)CF(3)(-).2C(4)H(8)O(2), with the anion in a transoid conformation, as opposed to the cisoid form typically seen when there are significant cation-anion interactions. The Rb(I) cation is eight-coordinate, interacting with one anion in a chelating fashion and with two other anions through the remaining sulfonyl O atoms. The latter interactions link ion pairs through the formation of Rb(2)O(2) dimers about inversion centers at (0, 1/2, 0) and (1/2, 1/2, 0), forming extended columns which run parallel to the a axis of the unit cell. Rb-dioxane bridges crosslink these salt columns in the (010), (001) and (011) directions, resulting in a three-dimensional network solid. One dioxane solvent molecule is disordered over two half-occupancy sites.

Journal Article↗

1,2,4,5-tetrakis(2-vinylpyridyl)-benzene-dichloromethane (1/2).

The title compound, C(34)H(26)N(4) x 2CH(2)Cl(2), lies about an inversion center. The solvent molecules interact with the benzene molecule both through C-H...N hydrogen bonding to span pyridine N atoms of adjacent vinyl groups, possibly stabilizing the rotational conformation observed, and through a pi interaction between a dichloromethane Cl atom and a pyridyl ring C-C bond of a c-glide-related molecule. The benzene molecules form stacks along the a axis such that two of the four olefin groups are properly oriented for photoreactivity (2+2 cyclodimerization).

Journal Article↗

2,6-Diiodopyridine.

The title compound, C(5)H(3)I(2)N, crystallizes in the polar space group Fmm2, with crystallographic mm2 symmetry imposed on the molecule. Molecules are linked through C-H...N hydrogen bonding to form chains which are, in turn, joined through weak I...I halogen-bonding interactions to form layers. The pyridine ring lies parallel to the polar z axis and has the N atom pointing in the +z direction. The layers stack in a polar fashion normal to the a axis and the absolute structure has been determined.

Journal Article↗